Products 2785319-25-5
CAS 2785319-25-5 is the registry number for Ercalcidiol-13C5. Offered by: MedChemExpress. Available pack sizes: 1 mg.
(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5-methyl-6-(113C)methyl(1,2,3,7-13C4)hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol (CAS 2785319-25-5) is a chemical compound with the molecular formula C28H44O2 and a molecular weight of 417.6 g/mol. IUPAC name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5-methyl-6-(113C)methyl(1,2,3,7-13C4)hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol. InChIKey: KJKIIUAXZGLUND-KVKXIVJRSA-N.
| Molecular formula | C28H44O2 |
|---|---|
| Molecular weight | 417.6 g/mol |
| IUPAC name | (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5-methyl-6-(113C)methyl(1,2,3,7-13C4)hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol |
| InChIKey | KJKIIUAXZGLUND-KVKXIVJRSA-N |
| SMILES | C[C@@H](/C=[13CH]/[13C@@H]([13CH3])[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)C([13CH3])([13CH3])O |
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